N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide

About N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide

N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide (PubChem CID 156903193) has the molecular formula C31H31N7O3 and a molecular weight of 549.64 g/mol. Its IUPAC name is N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide
PubChem CID	156903193
Molecular Formula	C31H31N7O3
Molecular Weight	549.64 g/mol
Exact Mass	549.25
IUPAC Name	N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide
SMILES	CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(C#CNC(=O)c4cccnc4)CC3)nc2)c2c(C#N)cnn2c1
InChI	InChI=1S/C31H31N7O3/c1-30(2,40)21-41-25-15-26(28-24(16-32)19-36-38(28)20-25)22-6-7-27(35-18-22)37-13-9-31(3,10-14-37)8-12-34-29(39)23-5-4-11-33-17-23/h4-7,11,15,17-20,40H,9-10,13-14,21H2,1-3H3,(H,34,39)
InChIKey	BZEHQHNMTPTNGC-UHFFFAOYSA-N
XLogP	3.81
TPSA	128.67 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.64
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide (CID 156903193) is N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide is CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(C#CNC(=O)c4cccnc4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide?

The InChIKey is BZEHQHNMTPTNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O3/c1-30(2,40)21-41-25-15-26(28-24(16-32)19-36-38(28)20-25)22-6-7-27(35-18-22)37-13-9-31(3,10-14-37)8-12-34-29(39)23-5-4-11-33-17-23/h4-7,11,15,17-20,40H,9-10,13-14,21H2,1-3H3,(H,34,39).

What are the key properties of N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide?

N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide has a molecular weight of 549.64 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide is sourced from PubChem (CID 156903193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).